N,N',2-trimethyl-N'-(2-methylcyclohexyl)-1-phenylpropane-1,3-diamine

C19H32N2 — CID 62618953

IUPACN,N',2-trimethyl-N'-(2-methylcyclohexyl)-1-phenylpropane-1,3-diamine
SMILESCNC(c1ccccc1)C(C)CN(C)C1CCCCC1C
InChIInChI=1S/C19H32N2/c1-15-10-8-9-13-18(15)21(4)14-16(2)19(20-3)17-11-6-5-7-12-17/h5-7,11-12,15-16,18-20H,8-10,13-14H2,1-4H3
InChIKeyLOAGXEAZFKKCKB-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.09
Rot. Bonds6

About N,N',2-trimethyl-N'-(2-methylcyclohexyl)-1-phenylpropane-1,3-diamine

N,N',2-trimethyl-N'-(2-methylcyclohexyl)-1-phenylpropane-1,3-diamine (PubChem CID 62618953) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N,N',2-trimethyl-N'-(2-methylcyclohexyl)-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N',2-trimethyl-N'-(2-methylcyclohexyl)-1-phenylpropane-1,3-diamine
PubChem CID62618953
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN,N',2-trimethyl-N'-(2-methylcyclohexyl)-1-phenylpropane-1,3-diamine
SMILESCNC(c1ccccc1)C(C)CN(C)C1CCCCC1C
InChIInChI=1S/C19H32N2/c1-15-10-8-9-13-18(15)21(4)14-16(2)19(20-3)17-11-6-5-7-12-17/h5-7,11-12,15-16,18-20H,8-10,13-14H2,1-4H3
InChIKeyLOAGXEAZFKKCKB-UHFFFAOYSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N',2-trimethyl-N'-(2-methylcyclohexyl)-1-phenylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine
CID 62618717
1-[[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]methyl]cyclopentan-1-ol
CID 114953543
2-[cyclopentyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]ethanol
CID 62618091
N'-ethyl-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62619239
N'-cyclopropyl-N,2-dimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62618413
N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine
CID 62619073
N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine
CID 112665001
N,N',2-trimethyl-N'-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine
CID 63713541
2-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]ethanol
CID 55098990
1-N,2-N-dimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine
CID 62040568
5-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]pentan-1-ol
CID 107204642
1-N,3-N,2,2-tetramethyl-1-N-(2-methylcyclohexyl)butane-1,3-diamine
CID 66453647

Frequently Asked Questions

What is the IUPAC name of N,N',2-trimethyl-N'-(2-methylcyclohexyl)-1-phenylpropane-1,3-diamine?
The IUPAC name of N,N',2-trimethyl-N'-(2-methylcyclohexyl)-1-phenylpropane-1,3-diamine (CID 62618953) is N,N',2-trimethyl-N'-(2-methylcyclohexyl)-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N,N',2-trimethyl-N'-(2-methylcyclohexyl)-1-phenylpropane-1,3-diamine?
The canonical SMILES for N,N',2-trimethyl-N'-(2-methylcyclohexyl)-1-phenylpropane-1,3-diamine is CNC(c1ccccc1)C(C)CN(C)C1CCCCC1C.
What is the InChIKey of N,N',2-trimethyl-N'-(2-methylcyclohexyl)-1-phenylpropane-1,3-diamine?
The InChIKey is LOAGXEAZFKKCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15-10-8-9-13-18(15)21(4)14-16(2)19(20-3)17-11-6-5-7-12-17/h5-7,11-12,15-16,18-20H,8-10,13-14H2,1-4H3.
What are the key properties of N,N',2-trimethyl-N'-(2-methylcyclohexyl)-1-phenylpropane-1,3-diamine?
N,N',2-trimethyl-N'-(2-methylcyclohexyl)-1-phenylpropane-1,3-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2-trimethyl-N'-(2-methylcyclohexyl)-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 62618953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).